5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid

C18H25N3O4 — CID 18521567

IUPAC5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1ccccc1NC(=O)CN1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C18H25N3O4/c1-14-5-2-3-6-15(14)19-16(22)13-20-9-11-21(12-10-20)17(23)7-4-8-18(24)25/h2-3,5-6H,4,7-13H2,1H3,(H,19,22)(H,24,25)
InChIKeyLWIZAGAGLXPFTC-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.33
Rot. Bonds7

About 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid

5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 18521567) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid
PubChem CID18521567
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1ccccc1NC(=O)CN1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C18H25N3O4/c1-14-5-2-3-6-15(14)19-16(22)13-20-9-11-21(12-10-20)17(23)7-4-8-18(24)25/h2-3,5-6H,4,7-13H2,1H3,(H,19,22)(H,24,25)
InChIKeyLWIZAGAGLXPFTC-UHFFFAOYSA-N
XLogP1.33
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119833595
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 119833586
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)-3-oxopropanamide
CID 108949310
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid (CID 18521567) is 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid is Cc1ccccc1NC(=O)CN1CCN(C(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is LWIZAGAGLXPFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-14-5-2-3-6-15(14)19-16(22)13-20-9-11-21(12-10-20)17(23)7-4-8-18(24)25/h2-3,5-6H,4,7-13H2,1H3,(H,19,22)(H,24,25).
What are the key properties of 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid?
5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 347.42 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 18521567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).